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How Chain Length and Branching Influence the Alkene Cracking Reactivity on H-ZSM-5

https://doi.org/10.1021/acscatal.8b01779

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Theoretical study on the cracking reaction catalyzed by a solid acid with zeolitic structure: The catalytic cracking of 1-hexene on the surface of H-ZSM-5

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The changing dynamics of olefin supply/demand

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Optimization of the product spectrum for 1-pentene cracking on ZSM-5 using single-event methodology. Part 2: Recycle reactor

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inferred← citeshttps://doi.org/10.1007/s11244-021-01489-yopenalex-snapshot

Achievements and Expectations in the Field of Computational Heterogeneous Catalysis in an Innovation Context

inferred← citeshttps://doi.org/10.1007/s11705-019-1878-0openalex-snapshot

Postsynthesis of hierarchical core/shell ZSM-5 as an efficient catalyst in ketalation and acetalization reactions

inferred← citeshttps://doi.org/10.1007/s42773-026-00612-0openalex-snapshot

In-depth into the mechanism of aromatic production from catalytic pyrolysis of wet-torrefied microalgae with HZSM-5 coated biochar

inferred← citeshttps://doi.org/10.1016/b978-0-12-823144-9.00012-1openalex-snapshot

Dynamic evolution of catalytic active sites within zeolite catalysis

inferred← citeshttps://doi.org/10.1016/j.apcatb.2025.125884openalex-snapshot

Cracking of hydrotreated waste fats and oils over zeolites for renewable propene production. Part II: Cracking of Hydrotreated & isomerized paraffinic products derived from the Hydroprocessed Esters and Fatty Acids (HEFA) process

inferred← citeshttps://doi.org/10.1016/j.apenergy.2023.121665openalex-snapshot

Insights into the effects of zeolite structural confinement on pentene catalytic cracking to light olefins

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.144148openalex-snapshot

Stability of C3-C6 carbonium ions inside zeolites: A first principles study

inferred← citeshttps://doi.org/10.1016/j.apsusc.2026.167010openalex-snapshot

Coupling dehydrogenation cracking and steam cracking with H2O generated by hydrogen selective combustion through sodium tungstate promoted zeolite–perovskite composites

inferred← citeshttps://doi.org/10.1016/j.cattod.2022.06.027openalex-snapshot

Framework aluminum distribution in ZSM-5 zeolite directed by organic structure-directing agents: a theoretical investigation

inferred← citeshttps://doi.org/10.1016/j.cej.2023.141887openalex-snapshot

Conquering the solubility barrier of di-n-octylamine as structure-directing agent in hierarchical silicoaluminophosphate synthesis by using phase-transfer synthesis

inferred← citeshttps://doi.org/10.1016/j.cej.2023.146894openalex-snapshot

Modulated oxygen mobility of perovskite oxides for efficient redox oxidative cracking of cycloalkane to light olefins

inferred← citeshttps://doi.org/10.1016/j.cej.2024.156987openalex-snapshot

Selective catalytic conversion of model olefin and diolefin compounds of waste plastic pyrolysis oil: Insights for light olefin production and coke minimization

inferred← citeshttps://doi.org/10.1016/j.cej.2024.158653openalex-snapshot

The tandem cracking-oxidation of phthalate esters with high CO2 selectivity and reduced energy cost

inferred← citeshttps://doi.org/10.1016/j.checat.2022.100503openalex-snapshot

Protonated methylcyclopropane is an intermediate providing complete 13C-label scrambling at C4 olefin isomerization in zeolite

inferred← citeshttps://doi.org/10.1016/j.chemphys.2023.112136openalex-snapshot

QM:QM studies on the mechanisms of interaction of alkenes with zeolitic Brønsted sites in H-FER

inferred← citeshttps://doi.org/10.1016/j.cherd.2026.06.056openalex-snapshot

Long-chain normal paraffin (C10-C13) dehydrogenation over the commercial NDC-10 catalyst (Pt-Sn-K-Mg/Al2O3): An intrinsic kinetic study

inferred← citeshttps://doi.org/10.1016/j.cjsc.2024.100412openalex-snapshot

A minireview to ketene chemistry in zeolite catalysis

inferred← citeshttps://doi.org/10.1016/j.fuel.2023.130797openalex-snapshot

Influence of intracrystalline diffusion constraints enhanced by channel fluctuation on zeolite catalyst performance in isomerization and aromatization

inferred← citeshttps://doi.org/10.1016/j.jaap.2025.107462openalex-snapshot

A combined gas and catalytic-phase kinetic model for ex-situ catalytic pyrolysis of polyethylene

inferred← citeshttps://doi.org/10.1016/j.jcat.2019.04.014openalex-snapshot

On the origin of the difference between type A and type B skeletal isomerization of alkenes catalyzed by zeolites: The crucial input of ab initio molecular dynamics

inferred← citeshttps://doi.org/10.1016/j.jcat.2020.04.015openalex-snapshot

Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction

inferred← citeshttps://doi.org/10.1016/j.jcat.2021.02.011openalex-snapshot

Methanol carbonylation over acid mordenite: Insights from ab initio molecular dynamics and machine learning thermodynamic perturbation theory

inferred← citeshttps://doi.org/10.1016/j.jcat.2021.11.002openalex-snapshot

Acidity effect on benzene methylation kinetics over substituted H-MeAlPO-5 catalysts

inferred← citeshttps://doi.org/10.1016/j.jcat.2022.09.026openalex-snapshot

Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case

inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116501openalex-snapshot

Linear versus branched products: How dynamical effects influence the transformations of isobutanol catalyzed by acidic zeolites

inferred← citeshttps://doi.org/10.1016/j.jclepro.2023.136842openalex-snapshot

Consumption and degradation of different consumer plastics by mealworms (Tenebrio molitor): Effects of plastic type, time, and mealworm origin

inferred← citeshttps://doi.org/10.1016/j.micromeso.2021.111621openalex-snapshot

Tuning the density of Brønsted acid sites on mesoporous ZSM-5 zeolite for enhancing light olefins selectivity in the catalytic cracking of n-octane

inferred← citeshttps://doi.org/10.1016/j.micromeso.2026.114372openalex-snapshot

Seed-directed synthesis of ZSM-5 zeolite via dry gel conversion and its catalytic performance in n-hexane cracking

inferred← citeshttps://doi.org/10.1016/j.psep.2026.108542openalex-snapshot

Mechanistic pathways and influencing factors in the liquefaction of single and mixed plastics toward waste-to-energy conversion: A structured and critical review

inferred← citeshttps://doi.org/10.1016/j.reactfunctpolym.2022.105236openalex-snapshot

Thermally stable and deformation-reversible eugenol-derived bismaleimide resin: Synthesis and structure-property relationships

inferred← citeshttps://doi.org/10.1016/s1872-2067(19)63426-1openalex-snapshot

Ethene and butene oligomerization over isostructural H-SAPO-5 and H-SSZ-24: Kinetics and mechanism

inferred← citeshttps://doi.org/10.1016/s1872-2067(25)64887-xopenalex-snapshot

Precise regulation of acid centers in different cavities of FER-zeolite via selective passivation to identify pentene monomolecular cracking reaction position

inferred← citeshttps://doi.org/10.1016/s1872-2067(26)65118-2openalex-snapshot

Dynamic evolution and stability of ketenes in MAPO-18 (M = Si or Mg): Molecular insights into the reaction mechanism for CO2-to-hydrocarbons

inferred← citeshttps://doi.org/10.1016/s1872-5813(23)60383-4openalex-snapshot

Regulation of the Lewis acidity on matrix and their performance in the catalytic cracking of light hydrocarbons

inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00896openalex-snapshot

Molecular Views on Mechanisms of Brønsted Acid-Catalyzed Reactions in Zeolites

inferred← citeshttps://doi.org/10.1021/acs.energyfuels.5c02617openalex-snapshot

H2-Free Deoxygenation and Cracking of Long-Chain Trimethylolpropane Trioleate with FeNi/TiO2 Bimetallic Catalysts for Biojet Fuel Production

inferred← citeshttps://doi.org/10.1021/acs.iecr.1c04105openalex-snapshot

Kinetic Modeling of Ethene Oligomerization on Bifunctional Nickel and Acid β Zeolites

inferred← citeshttps://doi.org/10.1021/acs.iecr.2c00088openalex-snapshot

Pore-Confined and Diffusion-Dependent Olefin Catalytic Cracking for the Production of Propylene over SAPO Zeolites

inferred← citeshttps://doi.org/10.1021/acs.iecr.5c01928openalex-snapshot

Microkinetic Modeling of Plastic Waste Catalytic Cracking with Phosphorus-Modified Mesoporous HZSM-5: An Iso-Octane Model Compound Study

inferred← citeshttps://doi.org/10.1021/acs.jctc.0c01022openalex-snapshot

Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration

inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00519openalex-snapshot

Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00169openalex-snapshot

Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic Integration

inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c06969openalex-snapshot

Thermodynamic Insight into Thermal Cracking of n-Hexane in the H-FAU Zeolite

inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c01438openalex-snapshot

Understanding the Hydrocracking of Polycyclic Aromatic Hydrocarbons within FAU Zeolites: Hydrogen Splitting Catalyzed by the Frustrated Lewis Pair

inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c03706openalex-snapshot

Mechanistic Insights into Radical-Mediated Cracking of n -Butylbenzene over CeO 2 (111) toward Selective Light Olefin Formation

inferred← citeshttps://doi.org/10.1021/acsanm.4c04239openalex-snapshot

MFI-Type Zeolite Nanosheets with Controllable Length along the b-Axis for Methanol-to-Propylene Reactions

inferred← citeshttps://doi.org/10.1021/acscatal.0c01136openalex-snapshot

Toward the Atomic Scale Simulation of Intricate Acidic Aluminosilicate Catalysts

inferred← citeshttps://doi.org/10.1021/acscatal.1c04707openalex-snapshot

Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n -Heptane Hydroconversion in a Large-Pore Zeolite

inferred← citeshttps://doi.org/10.1021/acscatal.2c05493openalex-snapshot

Molecular Dynamics with Chemical Accuracy─Alkane Adsorption in Acidic Zeolites

inferred← citeshttps://doi.org/10.1021/acscatal.3c01945openalex-snapshot

Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acscatal.3c02140openalex-snapshot

Microkinetic Simulations of Methanol-to-Olefin Conversion in H-SAPO-34: Dynamic Distribution and Evolution of the Hydrocarbon Pool and Implications for Catalytic Performance

inferred← citeshttps://doi.org/10.1021/acscatal.4c00736openalex-snapshot

Importance of Dynamic Effects in Isobutanol to Linear Butene Conversion Catalyzed by Acid Zeolites Assessed by AIMD

inferred← citeshttps://doi.org/10.1021/acscatal.4c05323openalex-snapshot

Optimizing Ethylene Production through Enhanced Monomolecular β-Scission in Confined Catalytic Cracking of Olefin

inferred← citeshttps://doi.org/10.1021/acscatal.5c06271openalex-snapshot

Bayesian Optimization of Hierarchical ZSM-5 for High-Efficiency Polyolefin Waste Recycling to Light Olefins

inferred← citeshttps://doi.org/10.1021/acscatal.5c07148openalex-snapshot

Atomistic Insights into How Zeolite Acidity and Topology Control the Activity and Propylene Selectivity in Hexane Cracking

inferred← citeshttps://doi.org/10.1021/acscatal.9b01466openalex-snapshot

Effect of Zeolite Topology and Reactor Configuration on the Direct Conversion of CO2 to Light Olefins and Aromatics

inferred← citeshttps://doi.org/10.1021/acscatal.9b01775openalex-snapshot

Beyond Density Functional Theory: The Multiconfigurational Approach To Model Heterogeneous Catalysis

inferred← citeshttps://doi.org/10.1021/acscatal.9b02856openalex-snapshot

Competition of Secondary versus Tertiary Carbenium Routes for the Type B Isomerization of Alkenes over Acid Zeolites Quantified by Ab Initio Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acssuschemeng.4c08240openalex-snapshot

Optimization of Sustainable Aviation Fuel Production through Experiment-Driven Modeling of Acid-Catalyzed Oligomerization

inferred← citeshttps://doi.org/10.1021/acssuschemeng.6c02470openalex-snapshot

Efficient Conversion of CO 2 to Hydrocarbons over Carbon-Confined InO x -ZnZrO x @C and (Ga,Al)Beta Tandem Catalysts

inferred← citeshttps://doi.org/10.1021/bk-2020-1360.ch002openalex-snapshot

From Subnanometric Clusters toward Single-Atom Catalysts

inferred← citeshttps://doi.org/10.1021/jacs.9b00585openalex-snapshot

Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics

inferred← citeshttps://doi.org/10.1021/jacs.9b10249openalex-snapshot

Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors

inferred← citeshttps://doi.org/10.1021/jacsau.1c00544openalex-snapshot

Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating Conditions

inferred← citeshttps://doi.org/10.1038/s41563-020-0800-yopenalex-snapshot

Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts

inferred← citeshttps://doi.org/10.1039/c6sc03500kopenalex-snapshot

Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model

inferred← citeshttps://doi.org/10.1039/c7sc04947aopenalex-snapshot

On the intrinsic dynamic nature of the rigid UiO-66 metal–organic framework

inferred← citeshttps://doi.org/10.1039/c8cs00398jopenalex-snapshot

Towards operando computational modeling in heterogeneous catalysis

inferred← citeshttps://doi.org/10.1039/d1cs00966dopenalex-snapshot

Carbocation chemistry confined in zeolites: spectroscopic and theoretical characterizations

inferred← citeshttps://doi.org/10.1039/d1nj01866copenalex-snapshot

Synergistic effect of Fe and Ga incorporation into ZSM-5 to increase propylene production in the cracking of n -hexane utilizing a microchannel reactor

inferred← citeshttps://doi.org/10.1039/d1re00532dopenalex-snapshot

Analysis of n -hexane, 1-hexene, cyclohexane and cyclohexene catalytic cracking over HZSM-5 zeolites: effects of molecular structure

inferred← citeshttps://doi.org/10.1039/d2cp02310eopenalex-snapshot

Mechanistic insights into positional and skeletal isomerization of cyclohexene in the H-BEA zeolite

inferred← citeshttps://doi.org/10.1039/d2cy00207hopenalex-snapshot

Trimethyloxonium ion – a zeolite confined mobile and efficient methyl carrier at low temperatures: a DFT study coupled with microkinetic analysis

inferred← citeshttps://doi.org/10.1039/d2se00146bopenalex-snapshot

Zeolite shape selectivity impact on LDPE and PP catalytic pyrolysis products and coke nature

inferred← citeshttps://doi.org/10.1039/d3cy00642eopenalex-snapshot

Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates

inferred← citeshttps://doi.org/10.1039/d4cy00973hopenalex-snapshot

Predicting the effect of framework and hydrocarbon structure on the zeolite-catalyzed beta-scission

inferred← citeshttps://doi.org/10.1039/d4cy01344aopenalex-snapshot

Genesys-Cat: automatic microkinetic model generation for heterogeneous catalysis with improved Bayesian optimization

inferred← citeshttps://doi.org/10.1039/d4sc00603hopenalex-snapshot

Selectivity descriptors of the catalytic n -hexane cracking process over 10-membered ring zeolites

inferred← citeshttps://doi.org/10.1093/nsr/nwaf405openalex-snapshot

Synergy principle of single active centers and microenvironment for Cr-MFI-catalyzed alkane dehydrogenation

inferred← citeshttps://doi.org/10.1098/rsta.2022.0239openalex-snapshot

Challenges in modelling dynamic processes in realistic nanostructured materials at operating conditions

inferred← citeshttps://doi.org/10.1134/s0023158419060077openalex-snapshot

Physicochemical and Catalytic Properties of Ni,H/ZSM-5 and Ni,H/ZSM-5–Binder Catalysts Prepared in the Absence and in the Presence of Binder

inferred← citeshttps://doi.org/10.1146/annurev-physchem-082624-014800openalex-snapshot

First-Principles Simulations of Chemical Transformations in Nanoporous Materials and Industrial Catalysts

inferred← citeshttps://doi.org/10.20517/cs.2022.31openalex-snapshot

Recent advances in shape selectivity of MFI zeolite and its effect on the catalytic performance

inferred← citeshttps://doi.org/10.3390/catal11030377openalex-snapshot

Promotional Effect of Pd Addition on the Catalytic Activity of Composite Pt-Pd/AlSBA-15–β Catalyst for Enhanced n-Heptane Hydroisomerization

inferred← citeshttps://doi.org/10.3390/catal12111457openalex-snapshot

Increased Light Olefin Production by Sequential Dehydrogenation and Cracking Reactions

inferred← citeshttps://doi.org/10.3390/catal15030212openalex-snapshot

Effect of Metal Dispersion in Rh-Based Zeolite and SiO2 Catalysts on the Hydroformylation of Olefin Mixtures from Fischer–Tropsch Synthesis

inferred← citeshttps://doi.org/10.3390/catal16020203openalex-snapshot

Toward Superior Product Distribution: Ga-Loaded over Etched Attapulgite as an Efficient Catalyst for Olefin Aromatization

inferred← citeshttps://doi.org/10.3390/catal8120626openalex-snapshot

Kinetic Modeling of Catalytic Olefin Cracking and Methanol-to-Olefins (MTO) over Zeolites: A Review

inferred← citeshttps://doi.org/10.3390/chemistry5030104openalex-snapshot

Catalytic Performances of Co/TiO2 Catalysts in the Oxidative Dehydrogenation of Ethane to Ethylene: Effect of CoTiO3 and Co2TiO4 Phase Formation

inferred← citeshttps://doi.org/10.3390/molecules28093858openalex-snapshot

The Influence of the Side Chain Structure on the Photostability of Low Band Gap Polymers

inferred← citeshttps://doi.org/10.3390/pr10081662openalex-snapshot

Moderate Hydrogen Pressures in the Hydrogenation of Alkenes Using a Reactor with Hydrogen Gas Self-Inducing Impeller

inferred← citeshttps://doi.org/10.70675/207b9bdfz8a6dz482bza96fz5d111741800dopenalex-snapshot

Impact of the topology of the zeolite structure on the mechanism and selectivity of ethylcyclohexane bifunctional isomerization : experiments, ab initio calculations and multi-scale kinetic modelling

inferred← citeshttps://doi.org/10.70675/d372cecfzc77az4090z9755z7f4f48cb78beopenalex-snapshot

Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics

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